General Information of the Compound
| Compound ID |
CP0858876
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| Compound Name |
(S)-6-Cyclopropylmethyl-2-(2,4-dichloro-phenyl)-4-methyl-7-phenyl-7,8-dihydro-6H-1,3,6,8a-tetraaza-acenaphthylene
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| Structure |
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| Formula |
C25H22Cl2N4
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| Molecular Weight |
449.385
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| Canonical SMILES |
Cc1cc2c3c(n1)c(-c1ccc(Cl)cc1Cl)nn3C[C@H](c1ccccc1)N2CC1CC1
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| InChI |
InChI=1S/C25H22Cl2N4/c1-15-11-21-25-24(28-15)23(19-10-9-18(26)12-20(19)27)29-31(25)14-22(17-5-3-2-4-6-17)30(21)13-16-7-8-16/h2-6,9-12,16,22H,7-8,13-14H2,1H3/t22-/m1/s1
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| InChIKey |
RATGXEAFCMCFDY-JOCHJYFZSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound